SCHEMBL438266

SCHEMBL438266

CCOC(=O)c1cnc2cc(F)cc(F)c2c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 3/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
CSNK1D P48730 2/20 0.41
JMJD6 Q6NYC1 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25999187 0.90 ALDH1A1 (0.47) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL6201539 0.86 MEN1 (0.48) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL6084623 0.85 KMT2A (0.50) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL30404296 0.85 KMT2A (0.50) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL438415 0.80 KMT2A (0.55) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL437074 0.80 KMT2A (0.55) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL442311 0.79 KDM4E (0.40) KMT2AALDH1A1MEN1KDM4E
SCHEMBL439424 0.79 NPC1 (0.45) KMT2AALDH1A1MEN1KDM4ETSHR
SCHEMBL25999202 0.79 DPP4 (0.51) KMT2AALDH1A1KDM4ETSHRMAPT
SCHEMBL440854 0.77 AURKA (0.57) KMT2AALDH1A1MEN1KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed